Natural Product: NPC158963

Natural Product ID:  NPC158963
Common Name:   Berkeleyacetal B
IUPAC Name:  
Synonyms:  
Molecular Formula:   C26H30O9
Standard InCHIKey:  XZKVBCSVEVIEBX-YJCISAIBSA-N
Standard InCHI:  InChI=1S/C26H30O9/c1-12-18(28)26(21(30)31-6)17-19(33-12)34-20(29)23(17,4)10-15-24(26,5)8-7-13-14(25(15)11-32-25)9-16(27)35-22(13,2)3/h7,9,12,15,17,19H,8,10-11H2,1-6H3/t12-,15+,17+,19+,23+,24-,25-,26-/m0/s1
Canonical SMILES:  COC(=O)[C@@]12C(=O)[C@H](C)O[C@H]3[C@@H]1[C@@](C)(C[C@@H]1[C@]2(C)CC=C2C(=CC(=O)OC2(C)C)[C@@]21OC2)C(=O)O3
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO11760 Teucrium orientale Species Lamiaceae Eukaryota UNPD*
NPO17071 Coeloseira pacifica Species Champiaceae Eukaryota UNPD*
NPO14575 Periploca forrestii Species Cosmopterigidae Eukaryota UNPD*
NPO16566 Cinnamosma madagascariensis Species Canellaceae Eukaryota UNPD*
NPO26788 Sophora viciifolia Species Fabaceae Eukaryota UNPD*
NPO17145 Aegiceras corniculatum Species Primulaceae Eukaryota UNPD*
NPO16695 Fumaria kraliki Species Papaveraceae Eukaryota UNPD*
NPO16052 Chromodoris obsoleta Species Chromodorididae Eukaryota UNPD*
NPO14002 Petalostemon purpureum Species Fabaceae Eukaryota UNPD*
NPO4336 Echiochilon pauciflorum Species Boraginaceae Eukaryota UNPD*
NPO17844 Agaricus integer Species Agaricaceae Eukaryota UNPD*
NPO16923 Cereus chrysacanthus Species Sagartiidae Eukaryota UNPD*
NPO4507 Bruguiera gymnorhiza Species Rhizophoraceae Eukaryota UNPD*
NPO15438 Stemona parviflora Species Stemonaceae Eukaryota UNPD*
NPO16329 Potebniamyces gallicola Species Phacidiaceae Eukaryota UNPD*
NPO11408 Podocarpus amarus Species Podocarpaceae Eukaryota UNPD*
NPO84 Isoberlinia angolensis Species Fabaceae Eukaryota UNPD*
NPO17602 Arbutus menziesii Species Ericaceae Eukaryota UNPD*
NPO28821 Stichopus horrens Species Stichopodidae Eukaryota UNPD*
NPO17375 Ceramium botryocarpum Species Ceramiaceae Eukaryota UNPD*
NPO2550 Trichoderma citrinum Species Hypocreaceae Eukaryota UNPD*
NPO15599 Daldinia concentrica Species Xylariaceae Eukaryota UNPD*
NPO17218 Helichrysum nudifolium Species Asteraceae Eukaryota UNPD*
NPO8010 Otostegia fruticosa Species Lamiaceae Eukaryota UNPD*
NPO15919 Streptomyces caelestis Species Streptomycetaceae Bacteria UNPD*
NPO9189 Streptomyces atratus Species Streptomycetaceae Bacteria UNPD*
NPO17999 Sonneratia alba Species Lythraceae Eukaryota UNPD*
NPO7905 Lepista irina Species Tricholomataceae Eukaryota UNPD*
NPO263 Clibadium microcephalum Species Asteraceae Eukaryota UNPD*
NPO5119 Pseudomonas chlororaphis Species Pseudomonadaceae Bacteria UNPD*
NPO9306 Globularia nudicaulis Species Plantaginaceae Eukaryota UNPD*
NPO28319 Ulva prolifera Species Ulvaceae Eukaryota UNPD*
NPO14813 Agaricus silvaticus Species Agaricaceae Eukaryota UNPD*
NPO17339 Macaranga sinensis Species Euphorbiaceae Eukaryota UNPD*
NPO16455 Xylopia aethiopica Species Annonaceae Eukaryota UNPD*
NPO21437 Rhododendron aureum Species Ericaceae Eukaryota UNPD*
NPO17921 Allium monspessulanum Species Amaryllidaceae Eukaryota UNPD*
NPO25550 Buchenavia tetraphylla Species Combretaceae Eukaryota UNPD*
NPO2155 Tephroseris integrifolia Species Asteraceae Eukaryota UNPD*
NPO16456 Mirabilis jalapa Species Nyctaginaceae Eukaryota UNPD*
NPO15056 Helianthus pumilus Species Asteraceae Eukaryota UNPD*
NPO30770 Penicillium sp. Species Aspergillaceae Eukaryota Berkeley Pit lake PMID[17970594]
NPO15004 Artemisia taurica Species Asteraceae Eukaryota UNPD*
NPO16812 Ajuga bracteosa Species Lamiaceae Eukaryota UNPD*
NPO13789 Paranephelius uniflorus Species Asteraceae Eukaryota UNPD*
NPO13013 Saccharothrix mutabilis Species Pseudonocardiaceae Bacteria UNPD*
NPO17828 Talaromyces ruber Species Trichocomaceae Eukaryota UNPD*
NPO3909 Leucas aspera Species Lamiaceae Eukaryota UNPD*
NPO10881 Gyrophyllum sibogae Species Pennatulidae Eukaryota UNPD*
NPO15545 Veltheimia viridifolia Species Hyacinthaceae Eukaryota UNPD*
NPO9951 Hyella caespitosa Species Hyellaceae Bacteria UNPD*
NPO3221 Schkuhria anthemoidea Species Asteraceae Eukaryota UNPD*
NPO16215 Umbilicaria cinereorufescens Species Umbilicariaceae Eukaryota UNPD*
NPO15748 Hypoxis nyasica Species Hypoxidaceae Eukaryota UNPD*
NPO28868 Pardachirus pavoninus Species Soleidae Eukaryota UNPD*
NPO10770 Ptilota pectinata Species Ceramiaceae Eukaryota UNPD*
NPO22097 Plakinastrella clathrata Species Plakinidae Eukaryota UNPD*
NPO17304 Sipunculus nudus Species Sipunculidae Eukaryota UNPD*
NPO18073 Justicia trinervia Species Acanthaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT140 Organism Artemia Artemia LD50 = 0.16 nM 23148724

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC158963 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.8016 Intermediate Similarity NPC476851
0.8016 Intermediate Similarity NPC476854
0.7966 Intermediate Similarity NPC222834
0.7953 Intermediate Similarity NPC476855
0.7953 Intermediate Similarity NPC476863
0.7953 Intermediate Similarity NPC476852
0.7953 Intermediate Similarity NPC476862
0.7937 Intermediate Similarity NPC476859
0.7838 Intermediate Similarity NPC112654
0.7826 Intermediate Similarity NPC325769
0.7719 Intermediate Similarity NPC473384
0.7712 Intermediate Similarity NPC23497
0.7705 Intermediate Similarity NPC243298
0.768 Intermediate Similarity NPC287236
0.7661 Intermediate Similarity NPC147635
0.7661 Intermediate Similarity NPC163693
0.7623 Intermediate Similarity NPC477509
0.7603 Intermediate Similarity NPC159333
0.7586 Intermediate Similarity NPC25666
0.7586 Intermediate Similarity NPC271059
0.7563 Intermediate Similarity NPC112457
0.7561 Intermediate Similarity NPC13713
0.7561 Intermediate Similarity NPC23046
0.7544 Intermediate Similarity NPC264378
0.7542 Intermediate Similarity NPC180744
0.754 Intermediate Similarity NPC470419
0.7522 Intermediate Similarity NPC311166
0.7522 Intermediate Similarity NPC476275
0.7521 Intermediate Similarity NPC265391
0.75 Intermediate Similarity NPC222307
0.748 Intermediate Similarity NPC270478
0.7478 Intermediate Similarity NPC476933
0.7477 Intermediate Similarity NPC20713
0.7463 Intermediate Similarity NPC596
0.746 Intermediate Similarity NPC204731
0.7458 Intermediate Similarity NPC476761
0.7458 Intermediate Similarity NPC476762
0.7458 Intermediate Similarity NPC476760
0.7458 Intermediate Similarity NPC469607
0.7444 Intermediate Similarity NPC262813
0.7442 Intermediate Similarity NPC298841
0.7442 Intermediate Similarity NPC42399
0.744 Intermediate Similarity NPC268958
0.744 Intermediate Similarity NPC245320
0.7436 Intermediate Similarity NPC471364
0.7436 Intermediate Similarity NPC471365
0.7436 Intermediate Similarity NPC132395
0.7434 Intermediate Similarity NPC473369
0.7422 Intermediate Similarity NPC24651
0.7422 Intermediate Similarity NPC470922
0.7419 Intermediate Similarity NPC53396
0.7419 Intermediate Similarity NPC98249
0.7417 Intermediate Similarity NPC469370
0.7402 Intermediate Similarity NPC312833
0.7395 Intermediate Similarity NPC133422
0.7388 Intermediate Similarity NPC471089
0.7388 Intermediate Similarity NPC141215
0.7388 Intermediate Similarity NPC251998
0.7388 Intermediate Similarity NPC243014
0.7388 Intermediate Similarity NPC190065
0.7387 Intermediate Similarity NPC469595
0.7387 Intermediate Similarity NPC212679
0.7387 Intermediate Similarity NPC329857
0.7387 Intermediate Similarity NPC220454
0.7387 Intermediate Similarity NPC469718
0.7385 Intermediate Similarity NPC473620
0.7385 Intermediate Similarity NPC270109
0.7381 Intermediate Similarity NPC473145
0.7381 Intermediate Similarity NPC31641
0.7381 Intermediate Similarity NPC476815
0.7373 Intermediate Similarity NPC476764
0.7373 Intermediate Similarity NPC476763
0.7373 Intermediate Similarity NPC474898
0.7368 Intermediate Similarity NPC473548
0.7368 Intermediate Similarity NPC242486
0.7368 Intermediate Similarity NPC15215
0.7368 Intermediate Similarity NPC223356
0.7368 Intermediate Similarity NPC100017
0.7368 Intermediate Similarity NPC475500
0.7368 Intermediate Similarity NPC475154
0.7368 Intermediate Similarity NPC471137
0.7368 Intermediate Similarity NPC182266
0.7368 Intermediate Similarity NPC471234
0.7368 Intermediate Similarity NPC471136
0.7364 Intermediate Similarity NPC477745
0.736 Intermediate Similarity NPC284707
0.736 Intermediate Similarity NPC470420
0.7355 Intermediate Similarity NPC253906
0.7355 Intermediate Similarity NPC281624
0.7355 Intermediate Similarity NPC478209
0.7355 Intermediate Similarity NPC235014
0.735 Intermediate Similarity NPC469606
0.735 Intermediate Similarity NPC273005
0.735 Intermediate Similarity NPC31058
0.7348 Intermediate Similarity NPC6274
0.7348 Intermediate Similarity NPC33378
0.7348 Intermediate Similarity NPC254146
0.7345 Intermediate Similarity NPC88507
0.7344 Intermediate Similarity NPC472077
0.7344 Intermediate Similarity NPC18945
0.7344 Intermediate Similarity NPC105926
0.7344 Intermediate Similarity NPC265557
0.7344 Intermediate Similarity NPC67251
0.7344 Intermediate Similarity NPC472078
0.7344 Intermediate Similarity NPC91693
0.7333 Intermediate Similarity NPC295885
0.7333 Intermediate Similarity NPC140045
0.7333 Intermediate Similarity NPC322903
0.7323 Intermediate Similarity NPC473228
0.7323 Intermediate Similarity NPC102822
0.7323 Intermediate Similarity NPC470779
0.7323 Intermediate Similarity NPC470418
0.7323 Intermediate Similarity NPC470829
0.7323 Intermediate Similarity NPC477046
0.7321 Intermediate Similarity NPC65513
0.7317 Intermediate Similarity NPC326264
0.7317 Intermediate Similarity NPC474271
0.7317 Intermediate Similarity NPC33360
0.7317 Intermediate Similarity NPC157441
0.7311 Intermediate Similarity NPC478208
0.7308 Intermediate Similarity NPC470780
0.7308 Intermediate Similarity NPC11732
0.7308 Intermediate Similarity NPC476008
0.7302 Intermediate Similarity NPC475520
0.7302 Intermediate Similarity NPC319570
0.7295 Intermediate Similarity NPC470246
0.7295 Intermediate Similarity NPC469656
0.7295 Intermediate Similarity NPC469655
0.7295 Intermediate Similarity NPC304180
0.7295 Intermediate Similarity NPC474846
0.7295 Intermediate Similarity NPC179798
0.7293 Intermediate Similarity NPC478151
0.7293 Intermediate Similarity NPC168879
0.7288 Intermediate Similarity NPC474166
0.7288 Intermediate Similarity NPC320154
0.7288 Intermediate Similarity NPC19239
0.7287 Intermediate Similarity NPC32868
0.7287 Intermediate Similarity NPC318135
0.7287 Intermediate Similarity NPC241456
0.7287 Intermediate Similarity NPC476729
0.7281 Intermediate Similarity NPC474947
0.7281 Intermediate Similarity NPC31021
0.728 Intermediate Similarity NPC469684
0.728 Intermediate Similarity NPC58662
0.728 Intermediate Similarity NPC478204
0.7273 Intermediate Similarity NPC475377
0.7273 Intermediate Similarity NPC173435
0.7273 Intermediate Similarity NPC301639
0.7273 Intermediate Similarity NPC478065
0.7273 Intermediate Similarity NPC476074
0.7273 Intermediate Similarity NPC262796
0.7273 Intermediate Similarity NPC474242
0.7273 Intermediate Similarity NPC45346
0.7273 Intermediate Similarity NPC251564
0.7273 Intermediate Similarity NPC172374
0.7273 Intermediate Similarity NPC264566
0.7273 Intermediate Similarity NPC329993
0.7273 Intermediate Similarity NPC475167
0.7273 Intermediate Similarity NPC478064
0.7273 Intermediate Similarity NPC213634
0.7273 Intermediate Similarity NPC475606
0.7273 Intermediate Similarity NPC134914
0.7273 Intermediate Similarity NPC475314
0.7273 Intermediate Similarity NPC250018
0.7273 Intermediate Similarity NPC477189
0.7265 Intermediate Similarity NPC323441
0.7265 Intermediate Similarity NPC474912
0.7265 Intermediate Similarity NPC474899
0.7259 Intermediate Similarity NPC68282
0.7258 Intermediate Similarity NPC299849
0.7257 Intermediate Similarity NPC471571
0.725 Intermediate Similarity NPC475510
0.725 Intermediate Similarity NPC475587
0.7244 Intermediate Similarity NPC109607
0.7244 Intermediate Similarity NPC107338
0.7241 Intermediate Similarity NPC54843
0.7236 Intermediate Similarity NPC317687
0.7236 Intermediate Similarity NPC12046
0.7236 Intermediate Similarity NPC194951
0.7227 Intermediate Similarity NPC471143
0.7227 Intermediate Similarity NPC477510
0.7227 Intermediate Similarity NPC476001
0.7222 Intermediate Similarity NPC473720
0.7222 Intermediate Similarity NPC108581
0.7222 Intermediate Similarity NPC478205
0.7222 Intermediate Similarity NPC478206
0.7222 Intermediate Similarity NPC21326
0.7222 Intermediate Similarity NPC13710
0.7222 Intermediate Similarity NPC113448
0.7222 Intermediate Similarity NPC297179
0.7222 Intermediate Similarity NPC17772
0.7218 Intermediate Similarity NPC475139
0.7218 Intermediate Similarity NPC478152
0.7218 Intermediate Similarity NPC180902
0.7218 Intermediate Similarity NPC473485
0.7218 Intermediate Similarity NPC478150
0.7218 Intermediate Similarity NPC231240
0.7218 Intermediate Similarity NPC474508
0.7218 Intermediate Similarity NPC478154
0.7218 Intermediate Similarity NPC478153

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC158963 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.7049 Intermediate Similarity NPD6686 Approved
0.7025 Intermediate Similarity NPD6008 Approved
0.6947 Remote Similarity NPD8328 Phase 3
0.6923 Remote Similarity NPD8513 Phase 3
0.6815 Remote Similarity NPD7319 Approved
0.6794 Remote Similarity NPD8515 Approved
0.6794 Remote Similarity NPD8517 Approved
0.6794 Remote Similarity NPD8516 Approved
0.6791 Remote Similarity NPD8293 Discontinued
0.6744 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6370 Approved
0.6741 Remote Similarity NPD7736 Approved
0.6716 Remote Similarity NPD7507 Approved
0.6715 Remote Similarity NPD7260 Phase 2
0.6694 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6845 Suspended
0.6642 Remote Similarity NPD7492 Approved
0.6593 Remote Similarity NPD6616 Approved
0.6591 Remote Similarity NPD6054 Approved
0.6591 Remote Similarity NPD6059 Approved
0.6581 Remote Similarity NPD5693 Phase 1
0.6562 Remote Similarity NPD6882 Approved
0.6544 Remote Similarity NPD7078 Approved
0.6541 Remote Similarity NPD6016 Approved
0.6541 Remote Similarity NPD6015 Approved
0.6535 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6529 Remote Similarity NPD5696 Approved
0.6508 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6496 Remote Similarity NPD5692 Phase 3
0.6493 Remote Similarity NPD5988 Approved
0.6491 Remote Similarity NPD1694 Approved
0.6489 Remote Similarity NPD6009 Approved
0.6489 Remote Similarity NPD7115 Discovery
0.6484 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6479 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6471 Remote Similarity NPD5282 Discontinued
0.6466 Remote Similarity NPD6319 Approved
0.6466 Remote Similarity NPD6672 Approved
0.6466 Remote Similarity NPD5737 Approved
0.6457 Remote Similarity NPD6372 Approved
0.6457 Remote Similarity NPD6373 Approved
0.6441 Remote Similarity NPD6050 Approved
0.6441 Remote Similarity NPD5694 Approved
0.6434 Remote Similarity NPD6053 Discontinued
0.6429 Remote Similarity NPD6412 Phase 2
0.6429 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6418 Remote Similarity NPD7503 Approved
0.6417 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6406 Remote Similarity NPD6371 Approved
0.6372 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6357 Remote Similarity NPD6649 Approved
0.6357 Remote Similarity NPD6650 Approved
0.6349 Remote Similarity NPD7128 Approved
0.6349 Remote Similarity NPD6675 Approved
0.6349 Remote Similarity NPD5739 Approved
0.6349 Remote Similarity NPD6402 Approved
0.6328 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6311 Remote Similarity NPD5959 Approved
0.6304 Remote Similarity NPD8074 Phase 3
0.6299 Remote Similarity NPD5697 Approved
0.6299 Remote Similarity NPD5701 Approved
0.6281 Remote Similarity NPD5695 Phase 3
0.6281 Remote Similarity NPD5654 Approved
0.6271 Remote Similarity NPD6080 Approved
0.6271 Remote Similarity NPD1695 Approved
0.6271 Remote Similarity NPD6904 Approved
0.6271 Remote Similarity NPD6673 Approved
0.626 Remote Similarity NPD8029 Clinical (unspecified phase)
0.626 Remote Similarity NPD7638 Approved
0.6259 Remote Similarity NPD6033 Approved
0.625 Remote Similarity NPD6011 Approved
0.625 Remote Similarity NPD6881 Approved
0.625 Remote Similarity NPD7320 Approved
0.625 Remote Similarity NPD6899 Approved
0.6218 Remote Similarity NPD6698 Approved
0.6218 Remote Similarity NPD46 Approved
0.6218 Remote Similarity NPD5207 Approved
0.621 Remote Similarity NPD7640 Approved
0.621 Remote Similarity NPD7639 Approved
0.6207 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6204 Remote Similarity NPD7830 Approved
0.6204 Remote Similarity NPD7642 Approved
0.6204 Remote Similarity NPD7829 Approved
0.6202 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6202 Remote Similarity NPD6013 Approved
0.6202 Remote Similarity NPD6012 Approved
0.6202 Remote Similarity NPD6014 Approved
0.6194 Remote Similarity NPD7328 Approved
0.6194 Remote Similarity NPD7327 Approved
0.6183 Remote Similarity NPD8297 Approved
0.6179 Remote Similarity NPD6084 Phase 2
0.6179 Remote Similarity NPD6083 Phase 2
0.6176 Remote Similarity NPD8444 Approved
0.6176 Remote Similarity NPD8033 Approved
0.6167 Remote Similarity NPD6411 Approved
0.6154 Remote Similarity NPD7102 Approved
0.6154 Remote Similarity NPD7521 Approved
0.6154 Remote Similarity NPD7334 Approved
0.6154 Remote Similarity NPD6409 Approved
0.6154 Remote Similarity NPD6684 Approved
0.6154 Remote Similarity NPD5330 Approved
0.6154 Remote Similarity NPD7290 Approved
0.6154 Remote Similarity NPD7146 Approved
0.6154 Remote Similarity NPD6883 Approved
0.6148 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6148 Remote Similarity NPD7516 Approved
0.6143 Remote Similarity NPD8336 Approved
0.6143 Remote Similarity NPD8337 Approved
0.6136 Remote Similarity NPD8133 Approved
0.6136 Remote Similarity NPD4632 Approved
0.6129 Remote Similarity NPD4225 Approved
0.6116 Remote Similarity NPD5779 Approved
0.6116 Remote Similarity NPD5778 Approved
0.6116 Remote Similarity NPD6399 Phase 3
0.6107 Remote Similarity NPD6617 Approved
0.6107 Remote Similarity NPD6869 Approved
0.6107 Remote Similarity NPD6847 Approved
0.6107 Remote Similarity NPD8130 Phase 1
0.6107 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6103 Remote Similarity NPD8377 Approved
0.6103 Remote Similarity NPD8294 Approved
0.6102 Remote Similarity NPD3573 Approved
0.6087 Remote Similarity NPD7604 Phase 2
0.6087 Remote Similarity NPD5209 Approved
0.6066 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6066 Remote Similarity NPD7900 Approved
0.6058 Remote Similarity NPD8296 Approved
0.6058 Remote Similarity NPD6921 Approved
0.6058 Remote Similarity NPD5983 Phase 2
0.6058 Remote Similarity NPD8378 Approved
0.6058 Remote Similarity NPD8380 Approved
0.6058 Remote Similarity NPD8335 Approved
0.6058 Remote Similarity NPD8379 Approved
0.6056 Remote Similarity NPD6914 Discontinued
0.605 Remote Similarity NPD6903 Approved
0.605 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6033 Remote Similarity NPD5281 Approved
0.6033 Remote Similarity NPD5284 Approved
0.6017 Remote Similarity NPD6098 Approved
0.6014 Remote Similarity NPD8080 Discontinued
0.6 Remote Similarity NPD8451 Approved
0.6 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6 Remote Similarity NPD6101 Approved
0.5968 Remote Similarity NPD7839 Suspended
0.5957 Remote Similarity NPD8448 Approved
0.5944 Remote Similarity NPD8390 Approved
0.5944 Remote Similarity NPD8392 Approved
0.5944 Remote Similarity NPD8391 Approved
0.5944 Remote Similarity NPD5956 Approved
0.5935 Remote Similarity NPD6001 Approved
0.5928 Remote Similarity NPD7799 Discontinued
0.5926 Remote Similarity NPD6274 Approved
0.5923 Remote Similarity NPD6614 Approved
0.592 Remote Similarity NPD7902 Approved
0.592 Remote Similarity NPD4755 Approved
0.5909 Remote Similarity NPD4634 Approved
0.5902 Remote Similarity NPD7983 Approved
0.589 Remote Similarity NPD5537 Clinical (unspecified phase)
0.5887 Remote Similarity NPD4629 Approved
0.5887 Remote Similarity NPD6336 Discontinued
0.5887 Remote Similarity NPD5210 Approved
0.5882 Remote Similarity NPD5279 Phase 3
0.5882 Remote Similarity NPD6317 Approved
0.5862 Remote Similarity NPD1780 Approved
0.5862 Remote Similarity NPD1779 Approved
0.5859 Remote Similarity NPD7632 Discontinued
0.5859 Remote Similarity NPD5211 Phase 2
0.584 Remote Similarity NPD4697 Phase 3
0.5839 Remote Similarity NPD6335 Approved
0.5839 Remote Similarity NPD6314 Approved
0.5839 Remote Similarity NPD6313 Approved
0.5827 Remote Similarity NPD4696 Approved
0.5827 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5827 Remote Similarity NPD5286 Approved
0.5827 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5827 Remote Similarity NPD6648 Approved
0.5827 Remote Similarity NPD4700 Approved
0.5827 Remote Similarity NPD5285 Approved
0.582 Remote Similarity NPD5785 Approved
0.582 Remote Similarity NPD7838 Discovery
0.5816 Remote Similarity NPD8340 Approved
0.5816 Remote Similarity NPD8299 Approved
0.5816 Remote Similarity NPD8342 Approved
0.5816 Remote Similarity NPD8341 Approved
0.5806 Remote Similarity NPD7748 Approved
0.5797 Remote Similarity NPD7101 Approved
0.5797 Remote Similarity NPD7100 Approved
0.5785 Remote Similarity NPD5208 Approved
0.5781 Remote Similarity NPD5223 Approved
0.5772 Remote Similarity NPD7637 Suspended
0.5769 Remote Similarity NPD5141 Approved
0.5753 Remote Similarity NPD8338 Approved
0.575 Remote Similarity NPD5280 Approved
0.575 Remote Similarity NPD4694 Approved
0.575 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5745 Remote Similarity NPD6067 Discontinued
0.5738 Remote Similarity NPD6051 Approved
0.5738 Remote Similarity NPD4753 Phase 2
0.5736 Remote Similarity NPD4633 Approved

Structure

External Identifiers

PubChem CID   24179626
ChEMBL   CHEMBL252921
ZINC  

Physicochemical Properties

Molecular Weight:  486.19
ALogP:  0.7903
MLogP:  3.33
XLogP:  1.19
# Rotatable Bonds:  8
Polar Surface Area:  117.73
# H-Bond Aceptor:  9
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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